SCHEMBL9912458

SCHEMBL9912458

CCOC(=O)c1cn(C2CCCCO2)nc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
AR P10275 1/20 0.37
MAPT P10636 5/20 0.37
MITF O75030 2/20 0.36
ALDH1A1 P00352 6/20 0.36
CSNK1D P48730 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NR2F2 P24468 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP6 P55212 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
XBP1 P17861 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
S1PR2 O95136 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18946294 0.84 LMNA (0.40) LMNAMAPTALDH1A1CSNK1DPOLB
SCHEMBL30133893 0.84 MAPT (0.40) LMNAARMAPTMITFALDH1A1
SCHEMBL21054420 0.83 LMNA (0.39) LMNAMAPTALDH1A1CSNK1DL3MBTL1
SCHEMBL1074409 0.82 LMNA (0.38) LMNAMAPTALDH1A1CSNK1DL3MBTL1
SCHEMBL29600809 0.82 LMNA (0.38) LMNAMAPTALDH1A1CSNK1DL3MBTL1
SCHEMBL21621425 0.81 LMNA (0.38) LMNAMAPTALDH1A1CSNK1DNPSR1
SCHEMBL25465376 0.81 LMNA (0.39) LMNAMAPTALDH1A1CSNK1DNPSR1
SCHEMBL14136588 0.81 CSNK1D (0.39) LMNAMAPTALDH1A1CSNK1DNPSR1
SCHEMBL18209791 0.80 KDM4E (0.37) LMNACSNK1DKDM4ENPC1RAB9A
SCHEMBL22235605 0.79 ELANE (0.39) LMNAALDH1A1CSNK1DPOLBNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714697-B1 SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS HOFFMANN LA ROCHE (CH) 2016-08-31 EP disclosed
US-9079919-B2 Spiro-[1,3]-oxazines and spiro-[1,4]-oxazepines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-07-14 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-8598200-B2 KAT II inhibitors PFIZER INC. (US) 2013-12-03 US disclosed
US-20120302549-A1 SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-11-29 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
WO-2012073143-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120302549-A1 SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE1, BACE2, PSEN1 LMNA 2196/4885AR 1022/4885MAPT 123/4885
US-20140057938-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 LMNA 3069/4885AR 4043/4885MAPT 126/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 LMNA 3069/4885AR 4043/4885MAPT 126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.